SCHEMBL5880368

SCHEMBL5880368

CN1CCN(CCCCCCCCCCCCO)CC1.CN1CCN(CCCCCCCCCCO)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.59
SIGMAR1 Q99720 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
GNAI3 P08754 2/20 0.42
GNAO1 P09471 2/20 0.42
GNAI1 P63096 2/20 0.42
HTR7 P34969 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PNMT P11086 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1403846 1.00 PAOX (0.59) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL1403872 1.00 PAOX (0.59) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL1619610 1.00 PAOX (0.59) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL20231224 1.00 PAOX (0.59) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL1619627 1.00 PAOX (0.59) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL1404033 1.00 PAOX (0.59) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL25387214 0.98 PAOX (0.55) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL9368 0.98 PAOX (0.55) PAOXSIGMAR1HRH3GNAI3GNAO1
SCHEMBL8866 0.90 PAOX (0.52) PAOXSIGMAR1USP2ALDH1A1HPGD
SCHEMBL11899867 0.90 HRH3 (0.52) PAOXHRH3GNAI3GNAO1GNAI1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026503-B2 Method for producing (meth)acrylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2006-04-11 US claimed